CID 48143

N-(2-diethylaminoethyl)-4-methoxybenzamidine dihydrochloride

Structural Information

Molecular Formula
C14H23N3O
SMILES
CCN(CC)CCN=C(C1=CC=C(C=C1)OC)N
InChI
InChI=1S/C14H23N3O/c1-4-17(5-2)11-10-16-14(15)12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16)
InChIKey
VNBPMXYEAKPEPC-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-4-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 161.8
[M+Na]+ 272.17333 166.0
[M-H]- 248.17683 167.0
[M+NH4]+ 267.21793 179.2
[M+K]+ 288.14727 165.2
[M+H-H2O]+ 232.18137 153.6
[M+HCOO]- 294.18231 188.5
[M+CH3COO]- 308.19796 209.1
[M+Na-2H]- 270.15878 164.8
[M]+ 249.18356 163.7
[M]- 249.18466 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.